MolNFT v1 · #49041 · protein

Crystal structure of severe acute respiratory syndrome (SARS) 3C-like protease ASN214ALA mutant

2QC2 · 3C-like proteinase: “Crystal structure of severe acute respiratory syndrome (SARS) 3C-like protease ASN214ALA mutant”. X-ray diffraction, 6 pockets (best druggability 0.77). MolNFT v1 #49041 on GenesisL1: 3D structure, binding sites…

PDB: 2QC2
Type: protein
Length: 610 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3C-like proteinase
EC: 3.4.22.-
UniProt: P59641
Pockets: 6 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 24% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3C-like proteinase (EC 3.4.22.-)	protein	305	25% helix, 29% strand	P59641
B	3C-like proteinase (EC 3.4.22.-)	protein	305	23% helix, 28% strand	P59641

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1072	0.77	0.79	84	empty
2	396	0.59	0.76	59	empty
3	151	0.47	0.77	26	empty
4	166	0.45	0.75	28	empty
5	161	0.44	0.75	24	empty

Interfaces

1 interface between chains.

A–B · 1448 Å² buried · 24 hydrogen bonds · protein-protein

Compared structures

2QC2 · Crystal structure of Severe Acute Respiratory Syndrome (SARS) 3C-like protease Asn214Ala… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P59641
Elsewhere: RCSB PDB 2QC2 · PDBe 2QC2 · UniProt P59641

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